SCHEMBL5079355

SCHEMBL5079355

CCOc1cc(C)c(O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 1/20 0.46
NQO1 P15559 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LTA4H P09960 1/20 0.43
PTGS1 P23219 3/20 0.43
PTGS2 P35354 3/20 0.43
ADRA2A P08913 2/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 2/20 0.37
PARP10 Q53GL7 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15826965 0.86 NQO1 (0.38) ESR1ESR2NQO1CA1CA2
SCHEMBL25328398 0.86 NQO1 (0.38) ESR1ESR2NQO1LTA4HPTGS1
SCHEMBL30356462 0.86 NQO1 (0.38) ESR1ESR2NQO1LTA4HPTGS1
SCHEMBL10951644 0.82 CYP2C9 (0.53) ESR1ESR2CA1CA2PTGS1
SCHEMBL25329373 0.82 PTGS1 (0.62) ESR1ESR2CA1CA2LTA4H
SCHEMBL13519216 0.81 PTGS1 (0.45) ESR1ESR2CA1CA2PTGS1
SCHEMBL13522247 0.81 PTGS1 (0.47) ESR1ESR2CA1CA2PTGS1
SCHEMBL25329446 0.80 ESR1 (0.56) ESR1ESR2CA1CA2LTA4H
SCHEMBL4570827 0.80 NQO1 (0.50) NQO1LTA4HTSHRTDP1CYP3A4
SCHEMBL19885259 0.78 NQO1 (0.48) NQO1LTA4HTSHRTDP1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP disclosed
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 CN disclosed
EP-3001472-A1 ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE Fujifilm Corporation (JP) 2016-03-30 EP disclosed
US-20080125531-A1 Polymerizable Composition, Thermoplastic Resin Composition, Crosslinked Resin, And Crosslinked Resin Composite Materials ZEON COROPRATION (JP) 2008-05-29 US disclosed
EP-1589054-A1 POLYMERIZABLE COMPOSITION, THERMOPLASTIC RESIN COMPOSITION, CROSSLINKED RESIN, AND CROSSLINKED RESIN COMPOSITE MATERIALS Zeon Corporation (JP) 2005-10-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD ESR1 3959/4885ESR2 4020/4885NQO1 61/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885ESR2 1987/4885NQO1 944/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.